N-butyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]morpholine-4-carboxamide

C19H25F3N4O4 — CID 140894941

IUPACN-butyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]morpholine-4-carboxamide
SMILESCCCCN(Cc1ccc(C(=O)NNC(=O)C(F)(F)F)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C19H25F3N4O4/c1-2-3-8-26(18(29)25-9-11-30-12-10-25)13-14-4-6-15(7-5-14)16(27)23-24-17(28)19(20,21)22/h4-7H,2-3,8-13H2,1H3,(H,23,27)(H,24,28)
InChIKeyVFRBCQBHIGSCBA-UHFFFAOYSA-N
MW430.43 g/mol
LogP2.06
Rot. Bonds6

About N-butyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]morpholine-4-carboxamide

N-butyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]morpholine-4-carboxamide (PubChem CID 140894941) has the molecular formula C19H25F3N4O4 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-butyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]morpholine-4-carboxamide
PubChem CID140894941
Molecular FormulaC19H25F3N4O4
Molecular Weight430.43 g/mol
Exact Mass430.18
IUPAC NameN-butyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]morpholine-4-carboxamide
SMILESCCCCN(Cc1ccc(C(=O)NNC(=O)C(F)(F)F)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C19H25F3N4O4/c1-2-3-8-26(18(29)25-9-11-30-12-10-25)13-14-4-6-15(7-5-14)16(27)23-24-17(28)19(20,21)22/h4-7H,2-3,8-13H2,1H3,(H,23,27)(H,24,28)
InChIKeyVFRBCQBHIGSCBA-UHFFFAOYSA-N
XLogP2.06
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methylsulfanyl]morpholine-4-carboxamide
CID 134584009
N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide
CID 3091
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 140894353
N-(2-methoxyphenyl)-1,1-dioxo-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]-1,4-thiazinane-4-carboxamide
CID 140894116
N-[4-(furan-3-yl)phenyl]-1,1-dioxo-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]-1,4-thiazinane-4-carboxamide
CID 140895041
N-phenyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]benzamide
CID 126544300
N-(2-hydroxyethyl)-N-pentylmorpholine-4-carboxamide
CID 111119288
(2S)-2-[[4-[[butyl-(4-pyridin-2-ylpiperazine-1-carbonyl)amino]methyl]benzoyl]amino]-3-methylbutanoic acid
CID 23963976
4-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide
CID 169452194
3-ethyl-1-phenyl-1-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]urea
CID 134584626
N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide
CID 158772736

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-butyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]morpholine-4-carboxamide (CID 140894941) is N-butyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-butyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-butyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]morpholine-4-carboxamide is CCCCN(Cc1ccc(C(=O)NNC(=O)C(F)(F)F)cc1)C(=O)N1CCOCC1.
What is the InChIKey of N-butyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is VFRBCQBHIGSCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O4/c1-2-3-8-26(18(29)25-9-11-30-12-10-25)13-14-4-6-15(7-5-14)16(27)23-24-17(28)19(20,21)22/h4-7H,2-3,8-13H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-butyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]morpholine-4-carboxamide?
N-butyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 140894941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).