N-[2-(1,4-diazepane-1-carbonyl)phenyl]-N-methylfuran-2-carboxamide

C18H21N3O3 — CID 119418147

IUPACN-[2-(1,4-diazepane-1-carbonyl)phenyl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccco1)c1ccccc1C(=O)N1CCCNCC1
InChIInChI=1S/C18H21N3O3/c1-20(18(23)16-8-4-13-24-16)15-7-3-2-6-14(15)17(22)21-11-5-9-19-10-12-21/h2-4,6-8,13,19H,5,9-12H2,1H3
InChIKeyLZHNOHAYECTWEG-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.99
Rot. Bonds3

About N-[2-(1,4-diazepane-1-carbonyl)phenyl]-N-methylfuran-2-carboxamide

N-[2-(1,4-diazepane-1-carbonyl)phenyl]-N-methylfuran-2-carboxamide (PubChem CID 119418147) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-(1,4-diazepane-1-carbonyl)phenyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,4-diazepane-1-carbonyl)phenyl]-N-methylfuran-2-carboxamide
PubChem CID119418147
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[2-(1,4-diazepane-1-carbonyl)phenyl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccco1)c1ccccc1C(=O)N1CCCNCC1
InChIInChI=1S/C18H21N3O3/c1-20(18(23)16-8-4-13-24-16)15-7-3-2-6-14(15)17(22)21-11-5-9-19-10-12-21/h2-4,6-8,13,19H,5,9-12H2,1H3
InChIKeyLZHNOHAYECTWEG-UHFFFAOYSA-N
XLogP1.99
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride
CID 119428571
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119624931
N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide
CID 120804617
(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 120947205
(2-bromophenyl)-(1,4-diazepan-1-yl)methanone
CID 16771837
N-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 120602161
N-[2-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 56783808
1,4-diazepan-1-yl(naphthalen-1-yl)methanone
CID 18933042
3-[[2-[furan-2-carbonyl(methyl)amino]benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119250065
N-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 119643351
azepan-1-yl(furan-2-yl)methanone
CID 5200992

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-diazepane-1-carbonyl)phenyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-(1,4-diazepane-1-carbonyl)phenyl]-N-methylfuran-2-carboxamide (CID 119418147) is N-[2-(1,4-diazepane-1-carbonyl)phenyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(1,4-diazepane-1-carbonyl)phenyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-(1,4-diazepane-1-carbonyl)phenyl]-N-methylfuran-2-carboxamide is CN(C(=O)c1ccco1)c1ccccc1C(=O)N1CCCNCC1.
What is the InChIKey of N-[2-(1,4-diazepane-1-carbonyl)phenyl]-N-methylfuran-2-carboxamide?
The InChIKey is LZHNOHAYECTWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-20(18(23)16-8-4-13-24-16)15-7-3-2-6-14(15)17(22)21-11-5-9-19-10-12-21/h2-4,6-8,13,19H,5,9-12H2,1H3.
What are the key properties of N-[2-(1,4-diazepane-1-carbonyl)phenyl]-N-methylfuran-2-carboxamide?
N-[2-(1,4-diazepane-1-carbonyl)phenyl]-N-methylfuran-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-diazepane-1-carbonyl)phenyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 119418147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).