N-(cyclopropylmethyl)-N'-[(2S)-2-[[2-(cyclopropylmethylamino)-2-oxoacetyl]amino]-4-methylpentyl]oxamide

C18H30N4O4 — CID 124874824

IUPACN-(cyclopropylmethyl)-N'-[(2S)-2-[[2-(cyclopropylmethylamino)-2-oxoacetyl]amino]-4-methylpentyl]oxamide
SMILESCC(C)C[C@@H](CNC(=O)C(=O)NCC1CC1)NC(=O)C(=O)NCC1CC1
InChIInChI=1S/C18H30N4O4/c1-11(2)7-14(22-18(26)17(25)20-9-13-5-6-13)10-21-16(24)15(23)19-8-12-3-4-12/h11-14H,3-10H2,1-2H3,(H,19,23)(H,20,25)(H,21,24)(H,22,26)/t14-/m0/s1
InChIKeyZDIOQONWGJNHHG-AWEZNQCLSA-N
MW366.46 g/mol
LogP-0.31
Rot. Bonds9

About N-(cyclopropylmethyl)-N'-[(2S)-2-[[2-(cyclopropylmethylamino)-2-oxoacetyl]amino]-4-methylpentyl]oxamide

N-(cyclopropylmethyl)-N'-[(2S)-2-[[2-(cyclopropylmethylamino)-2-oxoacetyl]amino]-4-methylpentyl]oxamide (PubChem CID 124874824) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N'-[(2S)-2-[[2-(cyclopropylmethylamino)-2-oxoacetyl]amino]-4-methylpentyl]oxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N'-[(2S)-2-[[2-(cyclopropylmethylamino)-2-oxoacetyl]amino]-4-methylpentyl]oxamide
PubChem CID124874824
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC NameN-(cyclopropylmethyl)-N'-[(2S)-2-[[2-(cyclopropylmethylamino)-2-oxoacetyl]amino]-4-methylpentyl]oxamide
SMILESCC(C)C[C@@H](CNC(=O)C(=O)NCC1CC1)NC(=O)C(=O)NCC1CC1
InChIInChI=1S/C18H30N4O4/c1-11(2)7-14(22-18(26)17(25)20-9-13-5-6-13)10-21-16(24)15(23)19-8-12-3-4-12/h11-14H,3-10H2,1-2H3,(H,19,23)(H,20,25)(H,21,24)(H,22,26)/t14-/m0/s1
InChIKeyZDIOQONWGJNHHG-AWEZNQCLSA-N
XLogP-0.31
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N'-[(2S)-2-[[2-(cyclopropylmethylamino)-2-oxoacetyl]amino]-4-methylpentyl]oxamide?
The IUPAC name of N-(cyclopropylmethyl)-N'-[(2S)-2-[[2-(cyclopropylmethylamino)-2-oxoacetyl]amino]-4-methylpentyl]oxamide (CID 124874824) is N-(cyclopropylmethyl)-N'-[(2S)-2-[[2-(cyclopropylmethylamino)-2-oxoacetyl]amino]-4-methylpentyl]oxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N'-[(2S)-2-[[2-(cyclopropylmethylamino)-2-oxoacetyl]amino]-4-methylpentyl]oxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N'-[(2S)-2-[[2-(cyclopropylmethylamino)-2-oxoacetyl]amino]-4-methylpentyl]oxamide is CC(C)C[C@@H](CNC(=O)C(=O)NCC1CC1)NC(=O)C(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N'-[(2S)-2-[[2-(cyclopropylmethylamino)-2-oxoacetyl]amino]-4-methylpentyl]oxamide?
The InChIKey is ZDIOQONWGJNHHG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-11(2)7-14(22-18(26)17(25)20-9-13-5-6-13)10-21-16(24)15(23)19-8-12-3-4-12/h11-14H,3-10H2,1-2H3,(H,19,23)(H,20,25)(H,21,24)(H,22,26)/t14-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-N'-[(2S)-2-[[2-(cyclopropylmethylamino)-2-oxoacetyl]amino]-4-methylpentyl]oxamide?
N-(cyclopropylmethyl)-N'-[(2S)-2-[[2-(cyclopropylmethylamino)-2-oxoacetyl]amino]-4-methylpentyl]oxamide has a molecular weight of 366.46 g/mol, XLogP of -0.31, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N'-[(2S)-2-[[2-(cyclopropylmethylamino)-2-oxoacetyl]amino]-4-methylpentyl]oxamide is sourced from PubChem (CID 124874824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).