7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide

C12H25N3O2 — CID 43579253

IUPAC7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide
SMILESCCNC(=O)C(C)NC(=O)CCCCCCN
InChIInChI=1S/C12H25N3O2/c1-3-14-12(17)10(2)15-11(16)8-6-4-5-7-9-13/h10H,3-9,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyHEACYFRNSVPBFT-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.54
Rot. Bonds9

About 7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide

7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide (PubChem CID 43579253) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide
PubChem CID43579253
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide
SMILESCCNC(=O)C(C)NC(=O)CCCCCCN
InChIInChI=1S/C12H25N3O2/c1-3-14-12(17)10(2)15-11(16)8-6-4-5-7-9-13/h10H,3-9,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyHEACYFRNSVPBFT-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide
CID 162387449
2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid
CID 71424310
(2R)-2-[[(2R)-2-(8-aminooctanoylamino)propanoyl]amino]propanoic acid
CID 101100546
7-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]heptanamide
CID 119750951
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide
CID 60850068
N-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide
CID 121336815
2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid
CID 71424311
6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide
CID 118327264
N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]hexadecanamide
CID 46865228
7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384
7-amino-N-(1-anilino-1-oxopropan-2-yl)heptanamide
CID 119785013
7-amino-N-(3-methylpentan-2-yl)heptanamide
CID 61464292

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide?
The IUPAC name of 7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide (CID 43579253) is 7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide.
What is the SMILES notation for 7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide?
The canonical SMILES for 7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide is CCNC(=O)C(C)NC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide?
The InChIKey is HEACYFRNSVPBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-14-12(17)10(2)15-11(16)8-6-4-5-7-9-13/h10H,3-9,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide?
7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide has a molecular weight of 243.35 g/mol, XLogP of 0.54, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide is sourced from PubChem (CID 43579253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).