N-[3-[[4-(acetamidomethyl)phenyl]methylamino]-3-aminopropyl]acetamide

C15H24N4O2 — CID 134401948

IUPACN-[3-[[4-(acetamidomethyl)phenyl]methylamino]-3-aminopropyl]acetamide
SMILESCC(=O)NCCC(N)NCc1ccc(CNC(C)=O)cc1
InChIInChI=1S/C15H24N4O2/c1-11(20)17-8-7-15(16)19-10-14-5-3-13(4-6-14)9-18-12(2)21/h3-6,15,19H,7-10,16H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyRYOKEQLWMUBSDR-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.22
Rot. Bonds8

About N-[3-[[4-(acetamidomethyl)phenyl]methylamino]-3-aminopropyl]acetamide

N-[3-[[4-(acetamidomethyl)phenyl]methylamino]-3-aminopropyl]acetamide (PubChem CID 134401948) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[3-[[4-(acetamidomethyl)phenyl]methylamino]-3-aminopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(acetamidomethyl)phenyl]methylamino]-3-aminopropyl]acetamide
PubChem CID134401948
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[3-[[4-(acetamidomethyl)phenyl]methylamino]-3-aminopropyl]acetamide
SMILESCC(=O)NCCC(N)NCc1ccc(CNC(C)=O)cc1
InChIInChI=1S/C15H24N4O2/c1-11(20)17-8-7-15(16)19-10-14-5-3-13(4-6-14)9-18-12(2)21/h3-6,15,19H,7-10,16H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyRYOKEQLWMUBSDR-UHFFFAOYSA-N
XLogP0.22
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide
CID 170399576
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[(4-iodophenyl)methyl]acetamide
CID 23111624
N-[[4-(2-aminophenyl)phenyl]methyl]acetamide
CID 171795259
4-(acetamidomethyl)benzoyl chloride
CID 13131539
N-benzylacetamide;ethanamine
CID 22257034
4-(acetamidomethyl)benzoate
CID 4573914
N-[[4-(diaminomethylideneamino)phenyl]methyl]acetamide
CID 59081490
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
[4-(acetamidomethyl)phenyl] acetate
CID 15576450
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(acetamidomethyl)phenyl]methylamino]-3-aminopropyl]acetamide?
The IUPAC name of N-[3-[[4-(acetamidomethyl)phenyl]methylamino]-3-aminopropyl]acetamide (CID 134401948) is N-[3-[[4-(acetamidomethyl)phenyl]methylamino]-3-aminopropyl]acetamide.
What is the SMILES notation for N-[3-[[4-(acetamidomethyl)phenyl]methylamino]-3-aminopropyl]acetamide?
The canonical SMILES for N-[3-[[4-(acetamidomethyl)phenyl]methylamino]-3-aminopropyl]acetamide is CC(=O)NCCC(N)NCc1ccc(CNC(C)=O)cc1.
What is the InChIKey of N-[3-[[4-(acetamidomethyl)phenyl]methylamino]-3-aminopropyl]acetamide?
The InChIKey is RYOKEQLWMUBSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(20)17-8-7-15(16)19-10-14-5-3-13(4-6-14)9-18-12(2)21/h3-6,15,19H,7-10,16H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[3-[[4-(acetamidomethyl)phenyl]methylamino]-3-aminopropyl]acetamide?
N-[3-[[4-(acetamidomethyl)phenyl]methylamino]-3-aminopropyl]acetamide has a molecular weight of 292.38 g/mol, XLogP of 0.22, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(acetamidomethyl)phenyl]methylamino]-3-aminopropyl]acetamide is sourced from PubChem (CID 134401948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).