(4S)-4-amino-5-[[4-(5-amino-5-oxopentyl)phenyl]methyl-methylamino]pentanamide

C18H30N4O2 — CID 155189225

IUPAC(4S)-4-amino-5-[[4-(5-amino-5-oxopentyl)phenyl]methyl-methylamino]pentanamide
SMILESCN(Cc1ccc(CCCCC(N)=O)cc1)C[C@@H](N)CCC(N)=O
InChIInChI=1S/C18H30N4O2/c1-22(13-16(19)10-11-18(21)24)12-15-8-6-14(7-9-15)4-2-3-5-17(20)23/h6-9,16H,2-5,10-13,19H2,1H3,(H2,20,23)(H2,21,24)/t16-/m0/s1
InChIKeyYJFBDNUCMYPJIU-INIZCTEOSA-N
MW334.46 g/mol
LogP0.91
Rot. Bonds12

About (4S)-4-amino-5-[[4-(5-amino-5-oxopentyl)phenyl]methyl-methylamino]pentanamide

(4S)-4-amino-5-[[4-(5-amino-5-oxopentyl)phenyl]methyl-methylamino]pentanamide (PubChem CID 155189225) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (4S)-4-amino-5-[[4-(5-amino-5-oxopentyl)phenyl]methyl-methylamino]pentanamide.

Molecular Properties

Compound Name(4S)-4-amino-5-[[4-(5-amino-5-oxopentyl)phenyl]methyl-methylamino]pentanamide
PubChem CID155189225
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(4S)-4-amino-5-[[4-(5-amino-5-oxopentyl)phenyl]methyl-methylamino]pentanamide
SMILESCN(Cc1ccc(CCCCC(N)=O)cc1)C[C@@H](N)CCC(N)=O
InChIInChI=1S/C18H30N4O2/c1-22(13-16(19)10-11-18(21)24)12-15-8-6-14(7-9-15)4-2-3-5-17(20)23/h6-9,16H,2-5,10-13,19H2,1H3,(H2,20,23)(H2,21,24)/t16-/m0/s1
InChIKeyYJFBDNUCMYPJIU-INIZCTEOSA-N
XLogP0.91
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992
1-N-[(4-bromophenyl)methyl]-1-N-methylhexane-1,2-diamine
CID 61415507
11-(4-fluorophenyl)undecanamide
CID 144640590
4-[(4-chlorophenyl)methyl-methylamino]butanamide
CID 14627807
3-N-[(4-bromophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119805
5-(4-methoxyphenyl)pentanamide
CID 134389506
ethane;4-(4-ethylphenyl)butanamide
CID 142203218
1-N-[(3-bromophenyl)methyl]-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929581
5-[4-(trifluoromethyl)phenyl]pentanamide
CID 162568096
4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine
CID 62475963
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
3-methylbutyl 5-[4-(dimethylamino)phenyl]pentanoate
CID 174402485

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-[[4-(5-amino-5-oxopentyl)phenyl]methyl-methylamino]pentanamide?
The IUPAC name of (4S)-4-amino-5-[[4-(5-amino-5-oxopentyl)phenyl]methyl-methylamino]pentanamide (CID 155189225) is (4S)-4-amino-5-[[4-(5-amino-5-oxopentyl)phenyl]methyl-methylamino]pentanamide.
What is the SMILES notation for (4S)-4-amino-5-[[4-(5-amino-5-oxopentyl)phenyl]methyl-methylamino]pentanamide?
The canonical SMILES for (4S)-4-amino-5-[[4-(5-amino-5-oxopentyl)phenyl]methyl-methylamino]pentanamide is CN(Cc1ccc(CCCCC(N)=O)cc1)C[C@@H](N)CCC(N)=O.
What is the InChIKey of (4S)-4-amino-5-[[4-(5-amino-5-oxopentyl)phenyl]methyl-methylamino]pentanamide?
The InChIKey is YJFBDNUCMYPJIU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-22(13-16(19)10-11-18(21)24)12-15-8-6-14(7-9-15)4-2-3-5-17(20)23/h6-9,16H,2-5,10-13,19H2,1H3,(H2,20,23)(H2,21,24)/t16-/m0/s1.
What are the key properties of (4S)-4-amino-5-[[4-(5-amino-5-oxopentyl)phenyl]methyl-methylamino]pentanamide?
(4S)-4-amino-5-[[4-(5-amino-5-oxopentyl)phenyl]methyl-methylamino]pentanamide has a molecular weight of 334.46 g/mol, XLogP of 0.91, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-[[4-(5-amino-5-oxopentyl)phenyl]methyl-methylamino]pentanamide is sourced from PubChem (CID 155189225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).