N-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]propanamide

C14H27N3O2 — CID 86849216

IUPACN-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)NCCN(C)C1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-3-13(18)16-11-14(19)15-9-10-17(2)12-7-5-4-6-8-12/h12H,3-11H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyGIKAZUVBNVUBRT-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.89
Rot. Bonds7

About N-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]propanamide

N-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]propanamide (PubChem CID 86849216) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]propanamide
PubChem CID86849216
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)NCCN(C)C1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-3-13(18)16-11-14(19)15-9-10-17(2)12-7-5-4-6-8-12/h12H,3-11H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyGIKAZUVBNVUBRT-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[cyclohexyl(methyl)amino]ethyl]pentanamide
CID 86848662
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
N-[2-[cyclohexyl(methyl)amino]ethyl]-4-ethoxybutanamide
CID 86848639
3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea
CID 115613946
4-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
CID 63316373
2-(butan-2-ylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62979214
4-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide;dihydrochloride
CID 119878781
3-(tert-butylamino)-N-[2-[cyclopentyl(methyl)amino]ethyl]propanamide
CID 63315852
2-(cyclopropylmethylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride
CID 119863864
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
CID 63316290
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62059016

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]propanamide?
The IUPAC name of N-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]propanamide (CID 86849216) is N-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]propanamide.
What is the SMILES notation for N-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]propanamide?
The canonical SMILES for N-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]propanamide is CCC(=O)NCC(=O)NCCN(C)C1CCCCC1.
What is the InChIKey of N-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]propanamide?
The InChIKey is GIKAZUVBNVUBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-13(18)16-11-14(19)15-9-10-17(2)12-7-5-4-6-8-12/h12H,3-11H2,1-2H3,(H,15,19)(H,16,18).
What are the key properties of N-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]propanamide?
N-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]propanamide has a molecular weight of 269.39 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]propanamide is sourced from PubChem (CID 86849216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).