N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[2-hydroxy-3-(4-methylphenoxy)propyl]amino]acetamide

C18H31N5O4 — CID 59029912

IUPACN-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[2-hydroxy-3-(4-methylphenoxy)propyl]amino]acetamide
SMILESCc1ccc(OCC(O)CN(CC(=O)NCCN)CC(=O)NCCN)cc1
InChIInChI=1S/C18H31N5O4/c1-14-2-4-16(5-3-14)27-13-15(24)10-23(11-17(25)21-8-6-19)12-18(26)22-9-7-20/h2-5,15,24H,6-13,19-20H2,1H3,(H,21,25)(H,22,26)
InChIKeyKMLCVLVBNUWHFR-UHFFFAOYSA-N
MW381.48 g/mol
LogP-1.81
Rot. Bonds13

About N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[2-hydroxy-3-(4-methylphenoxy)propyl]amino]acetamide

N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[2-hydroxy-3-(4-methylphenoxy)propyl]amino]acetamide (PubChem CID 59029912) has the molecular formula C18H31N5O4 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[2-hydroxy-3-(4-methylphenoxy)propyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[2-hydroxy-3-(4-methylphenoxy)propyl]amino]acetamide
PubChem CID59029912
Molecular FormulaC18H31N5O4
Molecular Weight381.48 g/mol
Exact Mass381.24
IUPAC NameN-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[2-hydroxy-3-(4-methylphenoxy)propyl]amino]acetamide
SMILESCc1ccc(OCC(O)CN(CC(=O)NCCN)CC(=O)NCCN)cc1
InChIInChI=1S/C18H31N5O4/c1-14-2-4-16(5-3-14)27-13-15(24)10-23(11-17(25)21-8-6-19)12-18(26)22-9-7-20/h2-5,15,24H,6-13,19-20H2,1H3,(H,21,25)(H,22,26)
InChIKeyKMLCVLVBNUWHFR-UHFFFAOYSA-N
XLogP-1.81
TPSA142.94 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 5-1.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[2-hydroxy-3-(4-methylphenoxy)propyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 32530996
(2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide
CID 110027696
ethyl (3S)-3-hydroxy-4-(4-methylphenoxy)butanoate
CID 129404710
N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetamide
CID 24574371
N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119405354
3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide
CID 54938576
2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide
CID 60712036
3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide
CID 106914872
1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 18278682
N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide
CID 103877644
1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
CID 43253651
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[2-hydroxy-3-(4-methylphenoxy)propyl]amino]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[2-hydroxy-3-(4-methylphenoxy)propyl]amino]acetamide (CID 59029912) is N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[2-hydroxy-3-(4-methylphenoxy)propyl]amino]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[2-hydroxy-3-(4-methylphenoxy)propyl]amino]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[2-hydroxy-3-(4-methylphenoxy)propyl]amino]acetamide is Cc1ccc(OCC(O)CN(CC(=O)NCCN)CC(=O)NCCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[2-hydroxy-3-(4-methylphenoxy)propyl]amino]acetamide?
The InChIKey is KMLCVLVBNUWHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O4/c1-14-2-4-16(5-3-14)27-13-15(24)10-23(11-17(25)21-8-6-19)12-18(26)22-9-7-20/h2-5,15,24H,6-13,19-20H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[2-hydroxy-3-(4-methylphenoxy)propyl]amino]acetamide?
N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[2-hydroxy-3-(4-methylphenoxy)propyl]amino]acetamide has a molecular weight of 381.48 g/mol, XLogP of -1.81, 13 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[2-hydroxy-3-(4-methylphenoxy)propyl]amino]acetamide is sourced from PubChem (CID 59029912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).