4-(methylamino)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide

C20H26N4O2 — CID 119721996

IUPAC4-(methylamino)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide
SMILESCNCCCC(=O)NC(C)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H26N4O2/c1-15(22-19(25)9-6-14-21-2)16-10-12-18(13-11-16)24-20(26)23-17-7-4-3-5-8-17/h3-5,7-8,10-13,15,21H,6,9,14H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyYZIBTHDIKKKLDC-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.51
Rot. Bonds8

About 4-(methylamino)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide

4-(methylamino)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide (PubChem CID 119721996) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(methylamino)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide
PubChem CID119721996
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-(methylamino)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide
SMILESCNCCCC(=O)NC(C)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H26N4O2/c1-15(22-19(25)9-6-14-21-2)16-10-12-18(13-11-16)24-20(26)23-17-7-4-3-5-8-17/h3-5,7-8,10-13,15,21H,6,9,14H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyYZIBTHDIKKKLDC-UHFFFAOYSA-N
XLogP3.51
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81364091
N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119685501
N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119753158
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
3-(4-methoxyphenyl)sulfanyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]propanamide
CID 55729504
3-[4-[4-(methylamino)butanoylamino]phenyl]butanoic acid
CID 104503002
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119815204
2-butylsulfanyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]propanamide
CID 55963010
4-(methylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
CID 81360998
4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide
CID 55840868
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 81372625

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide (CID 119721996) is 4-(methylamino)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide is CNCCCC(=O)NC(C)c1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(methylamino)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide?
The InChIKey is YZIBTHDIKKKLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15(22-19(25)9-6-14-21-2)16-10-12-18(13-11-16)24-20(26)23-17-7-4-3-5-8-17/h3-5,7-8,10-13,15,21H,6,9,14H2,1-2H3,(H,22,25)(H2,23,24,26).
What are the key properties of 4-(methylamino)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide?
4-(methylamino)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide has a molecular weight of 354.45 g/mol, XLogP of 3.51, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide is sourced from PubChem (CID 119721996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).