2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]acetamide

C14H27N3O — CID 56873895

IUPAC2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]acetamide
SMILESCC(C)C1CN(CC(N)=O)CCCN1CC1CC1
InChIInChI=1S/C14H27N3O/c1-11(2)13-9-16(10-14(15)18)6-3-7-17(13)8-12-4-5-12/h11-13H,3-10H2,1-2H3,(H2,15,18)
InChIKeyRBVAQSWEFLCDIP-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.91
Rot. Bonds5

About 2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]acetamide

2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]acetamide (PubChem CID 56873895) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]acetamide
PubChem CID56873895
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]acetamide
SMILESCC(C)C1CN(CC(N)=O)CCCN1CC1CC1
InChIInChI=1S/C14H27N3O/c1-11(2)13-9-16(10-14(15)18)6-3-7-17(13)8-12-4-5-12/h11-13H,3-10H2,1-2H3,(H2,15,18)
InChIKeyRBVAQSWEFLCDIP-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]acetamide
CID 95455732
4-[[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]benzoic acid
CID 56865663
1-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]cyclopropane-1-carboxamide
CID 95563335
[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(2-hydroxyphenyl)methanone
CID 95556824
[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(2,3-difluoro-4-methylphenyl)methanone
CID 95397643
1-[(3S)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 95555175
[(3S)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 95550114
[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-pyridazin-3-ylmethanone
CID 95525147
(2S)-1-(cyclopropylmethyl)-4-[2-(5-methylpyrazol-1-yl)ethyl]-2-propan-2-yl-1,4-diazepane
CID 98770542
[1-(2-aminoethyl)triazol-4-yl]-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methanone
CID 56879098
2-(azetidin-1-yl)acetamide
CID 18923030
[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95550385

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]acetamide?
The IUPAC name of 2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]acetamide (CID 56873895) is 2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for 2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]acetamide is CC(C)C1CN(CC(N)=O)CCCN1CC1CC1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]acetamide?
The InChIKey is RBVAQSWEFLCDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(2)13-9-16(10-14(15)18)6-3-7-17(13)8-12-4-5-12/h11-13H,3-10H2,1-2H3,(H2,15,18).
What are the key properties of 2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]acetamide?
2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]acetamide has a molecular weight of 253.39 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 56873895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).