N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride

C15H24ClN3O3 — CID 119609655

IUPACN-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C15H23N3O3.ClH/c16-10-11-4-1-2-5-12(11)18-14(19)7-8-17-15(20)13-6-3-9-21-13;/h3,6,9,11-12H,1-2,4-5,7-8,10,16H2,(H,17,20)(H,18,19);1H
InChIKeyBVXCQBWKCBJSFR-UHFFFAOYSA-N
MW329.83 g/mol
LogP1.46
Rot. Bonds6

About N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride

N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride (PubChem CID 119609655) has the molecular formula C15H24ClN3O3 and a molecular weight of 329.83 g/mol. Its IUPAC name is N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
PubChem CID119609655
Molecular FormulaC15H24ClN3O3
Molecular Weight329.83 g/mol
Exact Mass329.15
IUPAC NameN-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C15H23N3O3.ClH/c16-10-11-4-1-2-5-12(11)18-14(19)7-8-17-15(20)13-6-3-9-21-13;/h3,6,9,11-12H,1-2,4-5,7-8,10,16H2,(H,17,20)(H,18,19);1H
InChIKeyBVXCQBWKCBJSFR-UHFFFAOYSA-N
XLogP1.46
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 119601214
N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119589410
N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride
CID 119611841
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119450150
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257
N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
CID 62665546
N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9404333
N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 51981184
N-[2-(aminomethyl)cyclohexyl]-3-(benzenesulfonamido)propanamide;hydrochloride
CID 119611414
N-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide
CID 119610062
N-[4-[[2-(aminomethyl)cyclohexyl]amino]-4-oxobutyl]-4-fluorobenzamide
CID 119609996

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride (CID 119609655) is N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)CCNC(=O)c1ccco1.
What is the InChIKey of N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride?
The InChIKey is BVXCQBWKCBJSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3.ClH/c16-10-11-4-1-2-5-12(11)18-14(19)7-8-17-15(20)13-6-3-9-21-13;/h3,6,9,11-12H,1-2,4-5,7-8,10,16H2,(H,17,20)(H,18,19);1H.
What are the key properties of N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride?
N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119609655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).