2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide

C14H25N5O — CID 131947582

IUPAC2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
SMILESCc1cnc(C(C)NC(=O)CN2CCCN(C)CC2)[nH]1
InChIInChI=1S/C14H25N5O/c1-11-9-15-14(16-11)12(2)17-13(20)10-19-6-4-5-18(3)7-8-19/h9,12H,4-8,10H2,1-3H3,(H,15,16)(H,17,20)
InChIKeyDWHDEPKFZAZLPN-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.53
Rot. Bonds4

About 2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide

2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide (PubChem CID 131947582) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
PubChem CID131947582
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
SMILESCc1cnc(C(C)NC(=O)CN2CCCN(C)CC2)[nH]1
InChIInChI=1S/C14H25N5O/c1-11-9-15-14(16-11)12(2)17-13(20)10-19-6-4-5-18(3)7-8-19/h9,12H,4-8,10H2,1-3H3,(H,15,16)(H,17,20)
InChIKeyDWHDEPKFZAZLPN-UHFFFAOYSA-N
XLogP0.53
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 118767536
2-(benzotriazol-2-yl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 125435660
2-indazol-2-yl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 122572191
2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]acetamide
CID 91765215
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 89043934
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 125439324
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 91794714
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-[17-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-10,15,16-triazatetracyclo[9.7.0.02,8.014,18]octadeca-1(11),2(8),9,12,14,17-hexaen-9-yl]benzamide
CID 177299856
2-(azepan-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 86285985
N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 51926082
2-(4-methyl-1,4-diazepan-1-yl)-N-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]acetamide
CID 125160415
N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide
CID 172511153

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide (CID 131947582) is 2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide is Cc1cnc(C(C)NC(=O)CN2CCCN(C)CC2)[nH]1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide?
The InChIKey is DWHDEPKFZAZLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11-9-15-14(16-11)12(2)17-13(20)10-19-6-4-5-18(3)7-8-19/h9,12H,4-8,10H2,1-3H3,(H,15,16)(H,17,20).
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide?
2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide has a molecular weight of 279.39 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 131947582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).