N-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide

C14H26N4O — CID 106719405

IUPACN-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
SMILESCC(C)CCNC(=O)Cn1cnc(CNC(C)C)c1
InChIInChI=1S/C14H26N4O/c1-11(2)5-6-15-14(19)9-18-8-13(17-10-18)7-16-12(3)4/h8,10-12,16H,5-7,9H2,1-4H3,(H,15,19)
InChIKeyBSVRINZDINVUMP-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.54
Rot. Bonds8

About N-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide

N-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide (PubChem CID 106719405) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
PubChem CID106719405
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
SMILESCC(C)CCNC(=O)Cn1cnc(CNC(C)C)c1
InChIInChI=1S/C14H26N4O/c1-11(2)5-6-15-14(19)9-18-8-13(17-10-18)7-16-12(3)4/h8,10-12,16H,5-7,9H2,1-4H3,(H,15,19)
InChIKeyBSVRINZDINVUMP-UHFFFAOYSA-N
XLogP1.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719404
2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide
CID 106717474
N-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719440
1-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylic acid
CID 106717107
N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719321
N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719454
N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide
CID 155582672
1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]ethanone
CID 106719508
N-(2-methoxyethyl)-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetamide
CID 106720510
N-(3-methylbutyl)-2-pyrrol-1-ylacetamide
CID 63809996
N-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79781895
2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 106720364

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide (CID 106719405) is N-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide is CC(C)CCNC(=O)Cn1cnc(CNC(C)C)c1.
What is the InChIKey of N-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
The InChIKey is BSVRINZDINVUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(2)5-6-15-14(19)9-18-8-13(17-10-18)7-16-12(3)4/h8,10-12,16H,5-7,9H2,1-4H3,(H,15,19).
What are the key properties of N-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide?
N-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide has a molecular weight of 266.39 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide is sourced from PubChem (CID 106719405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).