4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide

C18H27N3O4 — CID 110813383

IUPAC4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
SMILESCCCNC(=O)N1CCCN(C(=O)c2cc(OC)ccc2OC)CC1
InChIInChI=1S/C18H27N3O4/c1-4-8-19-18(23)21-10-5-9-20(11-12-21)17(22)15-13-14(24-2)6-7-16(15)25-3/h6-7,13H,4-5,8-12H2,1-3H3,(H,19,23)
InChIKeyMWOWZHMBGLGQFJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.97
Rot. Bonds5

About 4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide

4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide (PubChem CID 110813383) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
PubChem CID110813383
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
SMILESCCCNC(=O)N1CCCN(C(=O)c2cc(OC)ccc2OC)CC1
InChIInChI=1S/C18H27N3O4/c1-4-8-19-18(23)21-10-5-9-20(11-12-21)17(22)15-13-14(24-2)6-7-16(15)25-3/h6-7,13H,4-5,8-12H2,1-3H3,(H,19,23)
InChIKeyMWOWZHMBGLGQFJ-UHFFFAOYSA-N
XLogP1.97
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxy-4,5-dimethylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813465
4-(4-methoxy-2,3-dimethylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813604
(2,5-dimethoxyphenyl)-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810052
4-(5-chloro-4-methoxy-2-methylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813528
N-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18163262
4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110365697
cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807480
4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812267
2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 17471888
4-(2-methoxy-4-propan-2-ylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812594
4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110812395
4-(2,4-dimethoxybenzoyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 51089081

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide (CID 110813383) is 4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide is CCCNC(=O)N1CCCN(C(=O)c2cc(OC)ccc2OC)CC1.
What is the InChIKey of 4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide?
The InChIKey is MWOWZHMBGLGQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-4-8-19-18(23)21-10-5-9-20(11-12-21)17(22)15-13-14(24-2)6-7-16(15)25-3/h6-7,13H,4-5,8-12H2,1-3H3,(H,19,23).
What are the key properties of 4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide?
4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 110813383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).