1,5-bis[butyl(carboxy)amino]pentan-3-yl-butylcarbamic acid

C20H39N3O6 — CID 174982637

IUPAC1,5-bis[butyl(carboxy)amino]pentan-3-yl-butylcarbamic acid
SMILESCCCCN(CCC(CCN(CCCC)C(=O)O)N(CCCC)C(=O)O)C(=O)O
InChIInChI=1S/C20H39N3O6/c1-4-7-12-21(18(24)25)15-10-17(23(20(28)29)14-9-6-3)11-16-22(19(26)27)13-8-5-2/h17H,4-16H2,1-3H3,(H,24,25)(H,26,27)(H,28,29)
InChIKeyRPWRRLDJAPVSCM-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.48
Rot. Bonds16

About 1,5-bis[butyl(carboxy)amino]pentan-3-yl-butylcarbamic acid

1,5-bis[butyl(carboxy)amino]pentan-3-yl-butylcarbamic acid (PubChem CID 174982637) has the molecular formula C20H39N3O6 and a molecular weight of 417.55 g/mol. Its IUPAC name is 1,5-bis[butyl(carboxy)amino]pentan-3-yl-butylcarbamic acid.

Molecular Properties

Compound Name1,5-bis[butyl(carboxy)amino]pentan-3-yl-butylcarbamic acid
PubChem CID174982637
Molecular FormulaC20H39N3O6
Molecular Weight417.55 g/mol
Exact Mass417.28
IUPAC Name1,5-bis[butyl(carboxy)amino]pentan-3-yl-butylcarbamic acid
SMILESCCCCN(CCC(CCN(CCCC)C(=O)O)N(CCCC)C(=O)O)C(=O)O
InChIInChI=1S/C20H39N3O6/c1-4-7-12-21(18(24)25)15-10-17(23(20(28)29)14-9-6-3)11-16-22(19(26)27)13-8-5-2/h17H,4-16H2,1-3H3,(H,24,25)(H,26,27)(H,28,29)
InChIKeyRPWRRLDJAPVSCM-UHFFFAOYSA-N
XLogP4.48
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1,5-bis[butyl(carboxy)amino]pentan-3-yl-butylcarbamic acid 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

butyl(propan-2-yl)carbamic acid
CID 87287717
hexyl(octadecyl)carbamic acid
CID 87702094
2-bromoethyl(butyl)carbamic acid
CID 87814426
3-bromopropyl(butyl)carbamic acid
CID 118525445
butyl(hydroxymethyl)carbamic acid
CID 175092275
[1,5-bis[2-[butyl(carboxy)amino]ethoxy]-1,5-dioxopentan-2-yl]-butylcarbamic acid
CID 175073249
butyl-[5-(diethylamino)pentan-2-yl]carbamic acid
CID 57352771
benzoic acid;dibutylcarbamic acid
CID 160812669
(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770
carboxy-[2-[carboxy-[3-[carboxy(2-hydroxyethyl)amino]propyl]amino]propyl]carbamic acid
CID 54374628
dihexylcarbamic acid;N-hexylhexan-1-amine
CID 174945078
butyl(3-iodoprop-2-ynyl)carbamic acid
CID 10062234

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[butyl(carboxy)amino]pentan-3-yl-butylcarbamic acid?
The IUPAC name of 1,5-bis[butyl(carboxy)amino]pentan-3-yl-butylcarbamic acid (CID 174982637) is 1,5-bis[butyl(carboxy)amino]pentan-3-yl-butylcarbamic acid.
What is the SMILES notation for 1,5-bis[butyl(carboxy)amino]pentan-3-yl-butylcarbamic acid?
The canonical SMILES for 1,5-bis[butyl(carboxy)amino]pentan-3-yl-butylcarbamic acid is CCCCN(CCC(CCN(CCCC)C(=O)O)N(CCCC)C(=O)O)C(=O)O.
What is the InChIKey of 1,5-bis[butyl(carboxy)amino]pentan-3-yl-butylcarbamic acid?
The InChIKey is RPWRRLDJAPVSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O6/c1-4-7-12-21(18(24)25)15-10-17(23(20(28)29)14-9-6-3)11-16-22(19(26)27)13-8-5-2/h17H,4-16H2,1-3H3,(H,24,25)(H,26,27)(H,28,29).
What are the key properties of 1,5-bis[butyl(carboxy)amino]pentan-3-yl-butylcarbamic acid?
1,5-bis[butyl(carboxy)amino]pentan-3-yl-butylcarbamic acid has a molecular weight of 417.55 g/mol, XLogP of 4.48, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[butyl(carboxy)amino]pentan-3-yl-butylcarbamic acid is sourced from PubChem (CID 174982637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).