N-[4-[2-[[2,6-dichloro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]ethylamino]phenyl]-4-phenylbutanamide

C30H33Cl2N5O4 — CID 143903791

IUPACN-[4-[2-[[2,6-dichloro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]ethylamino]phenyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccc(NCCNC(=O)Nc2c(Cl)cc(C(=O)N3CCOCC3)cc2Cl)cc1
InChIInChI=1S/C30H33Cl2N5O4/c31-25-19-22(29(39)37-15-17-41-18-16-37)20-26(32)28(25)36-30(40)34-14-13-33-23-9-11-24(12-10-23)35-27(38)8-4-7-21-5-2-1-3-6-21/h1-3,5-6,9-12,19-20,33H,4,7-8,13-18H2,(H,35,38)(H2,34,36,40)
InChIKeyMTKATNOUYLJFOC-UHFFFAOYSA-N
MW598.53 g/mol
LogP5.66
Rot. Bonds11

About N-[4-[2-[[2,6-dichloro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]ethylamino]phenyl]-4-phenylbutanamide

N-[4-[2-[[2,6-dichloro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]ethylamino]phenyl]-4-phenylbutanamide (PubChem CID 143903791) has the molecular formula C30H33Cl2N5O4 and a molecular weight of 598.53 g/mol. Its IUPAC name is N-[4-[2-[[2,6-dichloro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]ethylamino]phenyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[4-[2-[[2,6-dichloro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]ethylamino]phenyl]-4-phenylbutanamide
PubChem CID143903791
Molecular FormulaC30H33Cl2N5O4
Molecular Weight598.53 g/mol
Exact Mass597.19
IUPAC NameN-[4-[2-[[2,6-dichloro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]ethylamino]phenyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccc(NCCNC(=O)Nc2c(Cl)cc(C(=O)N3CCOCC3)cc2Cl)cc1
InChIInChI=1S/C30H33Cl2N5O4/c31-25-19-22(29(39)37-15-17-41-18-16-37)20-26(32)28(25)36-30(40)34-14-13-33-23-9-11-24(12-10-23)35-27(38)8-4-7-21-5-2-1-3-6-21/h1-3,5-6,9-12,19-20,33H,4,7-8,13-18H2,(H,35,38)(H2,34,36,40)
InChIKeyMTKATNOUYLJFOC-UHFFFAOYSA-N
XLogP5.66
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.53
LogP ≤ 55.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839339
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54836716
3,5-dichloro-4-[[4-[4-(4-phenylbutanoylamino)phenyl]piperidine-1-carbonyl]amino]benzoic acid
CID 58258658
2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54832122
N-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55748980
N-[2,6-dichloro-4-(pyridin-4-ylmethylcarbamoyl)phenyl]-4-[4-(4-phenylbutanoylamino)phenyl]piperazine-1-carboxamide
CID 58258653
2-[4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54832695
4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109045457
N-[2,6-dichloro-4-[2-methoxyethyl(methyl)carbamoyl]phenyl]-4-[4-(4-phenylbutanoylamino)phenyl]piperazine-1-carboxamide
CID 58258573
2-(2-chloroanilino)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
CID 54810418
5-[4-(morpholine-4-carbonyl)anilino]-5-oxopentanoate
CID 6953068
2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 60538956

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[2,6-dichloro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]ethylamino]phenyl]-4-phenylbutanamide?
The IUPAC name of N-[4-[2-[[2,6-dichloro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]ethylamino]phenyl]-4-phenylbutanamide (CID 143903791) is N-[4-[2-[[2,6-dichloro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]ethylamino]phenyl]-4-phenylbutanamide.
What is the SMILES notation for N-[4-[2-[[2,6-dichloro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]ethylamino]phenyl]-4-phenylbutanamide?
The canonical SMILES for N-[4-[2-[[2,6-dichloro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]ethylamino]phenyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1ccc(NCCNC(=O)Nc2c(Cl)cc(C(=O)N3CCOCC3)cc2Cl)cc1.
What is the InChIKey of N-[4-[2-[[2,6-dichloro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]ethylamino]phenyl]-4-phenylbutanamide?
The InChIKey is MTKATNOUYLJFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33Cl2N5O4/c31-25-19-22(29(39)37-15-17-41-18-16-37)20-26(32)28(25)36-30(40)34-14-13-33-23-9-11-24(12-10-23)35-27(38)8-4-7-21-5-2-1-3-6-21/h1-3,5-6,9-12,19-20,33H,4,7-8,13-18H2,(H,35,38)(H2,34,36,40).
What are the key properties of N-[4-[2-[[2,6-dichloro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]ethylamino]phenyl]-4-phenylbutanamide?
N-[4-[2-[[2,6-dichloro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]ethylamino]phenyl]-4-phenylbutanamide has a molecular weight of 598.53 g/mol, XLogP of 5.66, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[2,6-dichloro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]ethylamino]phenyl]-4-phenylbutanamide is sourced from PubChem (CID 143903791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).