3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide

C17H30N4O2 — CID 120505636

IUPAC3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide
SMILESC[C@@H](CN)NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N4O2/c1-11(10-18)20-15(22)2-3-19-16(23)21-17-7-12-4-13(8-17)6-14(5-12)9-17/h11-14H,2-10,18H2,1H3,(H,20,22)(H2,19,21,23)/t11-,12?,13?,14?,17?/m0/s1
InChIKeyANXYXRIGMZRLLL-GVMDUPDNSA-N
MW322.45 g/mol
LogP1.11
Rot. Bonds6

About 3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide

3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide (PubChem CID 120505636) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide
PubChem CID120505636
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide
SMILESC[C@@H](CN)NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N4O2/c1-11(10-18)20-15(22)2-3-19-16(23)21-17-7-12-4-13(8-17)6-14(5-12)9-17/h11-14H,2-10,18H2,1H3,(H,20,22)(H2,19,21,23)/t11-,12?,13?,14?,17?/m0/s1
InChIKeyANXYXRIGMZRLLL-GVMDUPDNSA-N
XLogP1.11
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-adamantylcarbamoylamino)propanoylamino]butanoic acid
CID 119224010
1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea
CID 62666112
3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide
CID 119643008
1-(1-adamantyl)-3-(2-aminopropyl)urea
CID 63731476
3-(1-adamantylcarbamoylamino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 26958401
1-(1-adamantyl)-3-[2-(2-hydroxypropylamino)ethyl]urea
CID 104593878
1-(1-adamantyl)-3-butan-2-ylurea
CID 14149308
1-(1-adamantyl)-3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]urea
CID 119520066
propan-2-yl 12-(1-adamantylcarbamoylamino)dodecanoate
CID 11362548
N-(1-adamantyl)-3-(propan-2-ylamino)propanamide
CID 60852695
1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
CID 3726783
3-(1-adamantylcarbamoylamino)butanoic acid
CID 23968433

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide (CID 120505636) is 3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide is C[C@@H](CN)NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide?
The InChIKey is ANXYXRIGMZRLLL-GVMDUPDNSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-11(10-18)20-15(22)2-3-19-16(23)21-17-7-12-4-13(8-17)6-14(5-12)9-17/h11-14H,2-10,18H2,1H3,(H,20,22)(H2,19,21,23)/t11-,12?,13?,14?,17?/m0/s1.
What are the key properties of 3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide?
3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide has a molecular weight of 322.45 g/mol, XLogP of 1.11, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide is sourced from PubChem (CID 120505636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).